Geometry & MOs

Info

ID:	256126
PubChem CID:	103137239
Reduced:	N3C17H17 (1)
Stoich.:	A3B17C17 (1)
Weight, g/mol:	264.137497
ΔH_f, kcal/mol:	65.89
Dipole, Da:	3.79
IP(EA), eV:	-9.29(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(1-pyridin-3-ylethyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(C2=CC=CC3=C2C=NC=C3)N)C

DOS

IR

Vibrations